SCHEMBL6236713

SCHEMBL6236713

CC(=O)C=C(B1OC(C)(C)C(C)(C)O1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 1/20 0.46
CES2 O00748 2/20 0.36
CES1 P23141 2/20 0.36
APLNR P35414 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NFE2L2 Q16236 1/20 0.34
RECQL P46063 2/20 0.34
LPL P06858 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
GLA P06280 1/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6236708 1.00 P4HB (0.46) P4HBCES2CES1APLNRMEN1
SCHEMBL6236711 1.00 P4HB (0.46) P4HBCES2CES1APLNRMEN1
SCHEMBL5704185 0.83 P4HB (0.45) P4HBCES2CES1APLNRRECQL
SCHEMBL5704180 0.83 P4HB (0.45) P4HBCES2CES1APLNRRECQL
SCHEMBL23233835 0.77 P4HB (0.44) P4HBAPLNRMEN1KMT2ARECQL
SCHEMBL10299939 0.77 P4HB (0.41) P4HBAPLNRLPLLIPG
SCHEMBL6236642 0.77 P4HB (0.44) P4HBAPLNRMEN1KMT2ARECQL
SCHEMBL6236653 0.77 P4HB (0.44) P4HBAPLNRMEN1KMT2ARECQL
SCHEMBL1290989 0.75 P4HB (0.45) P4HBCES2CES1MEN1KMT2A
SCHEMBL15375505 0.75 P4HB (0.40) P4HBCES2CES1APLNRLPL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1121365-B1 ORGANOBORON DERIVATIVES AND PROCESS FOR COUPLING ORGANIC COMPOUNDS COMMW SCIENT IND RES ORG (AU) 2005-06-08 EP claimed
US-6713566-B1 CATALYTIC HYDROBORATION OF OLEFINIC OR ACETYLENIC FUNCTIONA-LIZED MATERIAL UNDER MILD CONDITIONS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2004-03-30 US claimed
EP-1121365-A4 ORGANOBORON DERIVATIVES AND PROCESS FOR COUPLING ORGANIC COMPOUNDS COMMW SCIENT IND RES ORG (AU) 2002-03-06 EP claimed
EP-1121365-A1 ORGANOBORON DERIVATIVES AND PROCESS FOR COUPLING ORGANIC COMPOUNDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2001-08-08 EP claimed
WO-2000021966-A1 ORGANOBORON DERIVATIVES AND PROCESS FOR COUPLING ORGANIC COMPOUNDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2000-04-20 WO claimed
EP-1121365-B1 ORGANOBORON DERIVATIVES AND PROCESS FOR COUPLING ORGANIC COMPOUNDS COMMW SCIENT IND RES ORG (AU) 2005-06-08 EP disclosed
US-6713566-B1 CATALYTIC HYDROBORATION OF OLEFINIC OR ACETYLENIC FUNCTIONA-LIZED MATERIAL UNDER MILD CONDITIONS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2004-03-30 US disclosed
EP-1121365-A4 ORGANOBORON DERIVATIVES AND PROCESS FOR COUPLING ORGANIC COMPOUNDS COMMW SCIENT IND RES ORG (AU) 2002-03-06 EP disclosed
EP-1121365-A1 ORGANOBORON DERIVATIVES AND PROCESS FOR COUPLING ORGANIC COMPOUNDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2001-08-08 EP disclosed
WO-2000021966-A1 ORGANOBORON DERIVATIVES AND PROCESS FOR COUPLING ORGANIC COMPOUNDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2000-04-20 WO disclosed